[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate

C9H16N2O3 — CID 121245576

IUPAC[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate
SMILESCNC1CCN(C(=O)COC(C)=O)C1
InChIInChI=1S/C9H16N2O3/c1-7(12)14-6-9(13)11-4-3-8(5-11)10-2/h8,10H,3-6H2,1-2H3
InChIKeyHUADFWMZAGAXSD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.63
Rot. Bonds3

About [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate

[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate (PubChem CID 121245576) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate
PubChem CID121245576
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate
SMILESCNC1CCN(C(=O)COC(C)=O)C1
InChIInChI=1S/C9H16N2O3/c1-7(12)14-6-9(13)11-4-3-8(5-11)10-2/h8,10H,3-6H2,1-2H3
InChIKeyHUADFWMZAGAXSD-UHFFFAOYSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
1-[3-(methylamino)pyrrolidin-1-yl]-3-methylsulfanylpropan-1-one
CID 81466966
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
1-[3-(methylamino)pyrrolidin-1-yl]-2-methylsulfonylethanone
CID 81466280
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
4-ethoxy-1-[3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 81466362
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
2-butoxy-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489315
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-[3-(tert-butylamino)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 164785489
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate?
The IUPAC name of [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate (CID 121245576) is [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate?
The canonical SMILES for [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate is CNC1CCN(C(=O)COC(C)=O)C1.
What is the InChIKey of [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate?
The InChIKey is HUADFWMZAGAXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)14-6-9(13)11-4-3-8(5-11)10-2/h8,10H,3-6H2,1-2H3.
What are the key properties of [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate?
[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate has a molecular weight of 200.24 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate is sourced from PubChem (CID 121245576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).